ChemSpider 2D Image | (R)-bitolterol | C28H31NO5

(R)-bitolterol

  • Molecular FormulaC28H31NO5
  • Average mass461.549 Da
  • Monoisotopic mass461.220215 Da
  • ChemSpider ID26331501

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(R)-bitolterol
4-{(1R)-1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1,2-phenylen-bis(4-methylbenzoat) [German] [ACD/IUPAC Name]
4-{(1R)-1-Hydroxy-2-[(2-methyl-2-propanyl)amino]ethyl}-1,2-phenylene bis(4-methylbenzoate) [ACD/IUPAC Name]
912649-33-3 [RN]
Benzoic acid, 4-methyl-, 4-[(1R)-2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,2-phenylene ester [ACD/Index Name]
Bis(4-méthylbenzoate) de 4-{(1R)-1-hydroxy-2-[(2-méthyl-2-propanyl)amino]éthyl}-1,2-phénylène [French] [ACD/IUPAC Name]
bitolterolum [INN_la]
30392-40-6 [RN]
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate)
BITOLTEROL [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9SWU9P995C [DBID]
UNII:9SWU9P995C [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 640.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.2±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 5.62
ACD/KOC (pH 5.5): 16.28
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 53.28
ACD/KOC (pH 7.4): 154.25
Polar Surface Area: 85 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

Click to predict properties on the Chemicalize site


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